8-methyl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 8-methyl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 8-methyl-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C18H19N3OS/c1-12-5-2-6-13-17(12)19-16(20-18(13)22)11-21-9-3-7-14(21)15-8-4-10-23-15/h2,4-6,8,10,14H,3,7,9,11H2,1H3,(H,19,20,22)/p+1/t14-/m0/s1